| SpectraBase Compound ID | JJA48ceEhba |
|---|---|
| InChI | InChI=1S/C9H12ClN.ClH/c1-7(6-11)8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H |
| InChIKey | RTPMRVSAKBTCBG-UHFFFAOYSA-N |
| Mol Weight | 206.12 g/mol |
| Molecular Formula | C9H13Cl2N |
| Exact Mass | 205.042505 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8UI7bdVHr7c |
|---|---|
| Name | p-Chloro-beta-methylphenethylamine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.042504823 u |
| Formula | C9H13Cl2N |
| InChI | InChI=1S/C9H12ClN.ClH/c1-7(6-11)8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H |
| InChIKey | RTPMRVSAKBTCBG-UHFFFAOYSA-N |
| SMILES | Cl.NCC(C1=CC=C(C=C1)Cl)C |
| Spectrum/Structure Validation Score (Raman) | 0.985407 |